9-[2,3-di(carbazol-9-yl)-4,6-di(pyrimidin-2-yl)phenyl]carbazole

C50H31N7 — CID 135130975

IUPAC9-[2,3-di(carbazol-9-yl)-4,6-di(pyrimidin-2-yl)phenyl]carbazole
SMILESc1cnc(-c2cc(-c3ncccn3)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)nc1
InChIInChI=1S/C50H31N7/c1-7-21-40-32(15-1)33-16-2-8-22-41(33)55(40)46-38(49-51-27-13-28-52-49)31-39(50-53-29-14-30-54-50)47(56-42-23-9-3-17-34(42)35-18-4-10-24-43(35)56)48(46)57-44-25-11-5-19-36(44)37-20-6-12-26-45(37)57/h1-31H
InChIKeyUQKYXTDQZATKRY-UHFFFAOYSA-N
MW729.85 g/mol
LogP11.89
Rot. Bonds5

About 9-[2,3-di(carbazol-9-yl)-4,6-di(pyrimidin-2-yl)phenyl]carbazole

9-[2,3-di(carbazol-9-yl)-4,6-di(pyrimidin-2-yl)phenyl]carbazole (PubChem CID 135130975) has the molecular formula C50H31N7 and a molecular weight of 729.85 g/mol. Its IUPAC name is 9-[2,3-di(carbazol-9-yl)-4,6-di(pyrimidin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[2,3-di(carbazol-9-yl)-4,6-di(pyrimidin-2-yl)phenyl]carbazole
PubChem CID135130975
Molecular FormulaC50H31N7
Molecular Weight729.85 g/mol
Exact Mass729.26
IUPAC Name9-[2,3-di(carbazol-9-yl)-4,6-di(pyrimidin-2-yl)phenyl]carbazole
SMILESc1cnc(-c2cc(-c3ncccn3)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)nc1
InChIInChI=1S/C50H31N7/c1-7-21-40-32(15-1)33-16-2-8-22-41(33)55(40)46-38(49-51-27-13-28-52-49)31-39(50-53-29-14-30-54-50)47(56-42-23-9-3-17-34(42)35-18-4-10-24-43(35)56)48(46)57-44-25-11-5-19-36(44)37-20-6-12-26-45(37)57/h1-31H
InChIKeyUQKYXTDQZATKRY-UHFFFAOYSA-N
XLogP11.89
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.85
LogP ≤ 511.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-[3-carbazol-9-yl-4,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 177087593
5-[2,3,4,5-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole
CID 155141325
9-[2,3-di(carbazol-9-yl)-4-isocyano-6-(4-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 177117289
9-[2,3,4,5-tetra(carbazol-9-yl)-6-methylphenyl]carbazole
CID 147406745
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole
CID 170111581
9-[1-carbazol-9-yl-3-[4-[1,2-di(carbazol-9-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 153300099
5-[2-(3-isocyanocarbazol-9-yl)-3,4,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole
CID 164791660
5-carbazol-9-yl-4,6-bis(3-pyridin-2-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 170010813
3-[2,3,4-tri(carbazol-9-yl)-5-(3-cyanophenyl)phenyl]benzonitrile
CID 135130926
9-[2,3-di(carbazol-9-yl)-4,5,6-tri(pyrimidin-4-yl)phenyl]carbazole
CID 135130886
2-(5-pyrimidin-2-ylnaphthalen-1-yl)pyrimidine
CID 169050093
9-(2-carbazol-9-yl-4,6-dipyridin-2-ylpyrimidin-5-yl)carbazole
CID 145186124

Frequently Asked Questions

What is the IUPAC name of 9-[2,3-di(carbazol-9-yl)-4,6-di(pyrimidin-2-yl)phenyl]carbazole?
The IUPAC name of 9-[2,3-di(carbazol-9-yl)-4,6-di(pyrimidin-2-yl)phenyl]carbazole (CID 135130975) is 9-[2,3-di(carbazol-9-yl)-4,6-di(pyrimidin-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-[2,3-di(carbazol-9-yl)-4,6-di(pyrimidin-2-yl)phenyl]carbazole?
The canonical SMILES for 9-[2,3-di(carbazol-9-yl)-4,6-di(pyrimidin-2-yl)phenyl]carbazole is c1cnc(-c2cc(-c3ncccn3)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)nc1.
What is the InChIKey of 9-[2,3-di(carbazol-9-yl)-4,6-di(pyrimidin-2-yl)phenyl]carbazole?
The InChIKey is UQKYXTDQZATKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N7/c1-7-21-40-32(15-1)33-16-2-8-22-41(33)55(40)46-38(49-51-27-13-28-52-49)31-39(50-53-29-14-30-54-50)47(56-42-23-9-3-17-34(42)35-18-4-10-24-43(35)56)48(46)57-44-25-11-5-19-36(44)37-20-6-12-26-45(37)57/h1-31H.
What are the key properties of 9-[2,3-di(carbazol-9-yl)-4,6-di(pyrimidin-2-yl)phenyl]carbazole?
9-[2,3-di(carbazol-9-yl)-4,6-di(pyrimidin-2-yl)phenyl]carbazole has a molecular weight of 729.85 g/mol, XLogP of 11.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,3-di(carbazol-9-yl)-4,6-di(pyrimidin-2-yl)phenyl]carbazole is sourced from PubChem (CID 135130975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).